[CPMD-list] I cant use ODIIS NO_RESET
cdy2000 at vip.sina.com
cdy2000 at vip.sina.com
Sun May 11 15:18:15 CEST 2003
Hello, all CPMDer!
My CPMD 3.7 programme is upgraded from 3.5, this is a part of my inputfile:
&CPMD
ODIIS NO_RESET
OPTIMIZE GEOMETRY XYZ
ISOLATED MOLECULE
&END
&SYSTEM
ANGSTROM
SYMMETRY
0
CELL
25.0000 0.7170 0.6561 0 0 0
CUTOFF
12.5
&END
when I run cpmd.x, the info is
PGFIO/stdio: No such file or directory
PGFIO-F-/list-directed write/unit=6/error code returned by host stdio -2.
File name = stdout formatted, sequential access record = 4
In source file ./control.f, at line number 1952
I want to know why? Are there some syntax wrong in my input file, or no some origin file in my CPMD programme?
Thanks for any help
Sincerely Cao Dayong
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